SCHEMBL9548314

SCHEMBL9548314

CC(C(=O)NCC(=O)O)c1cc(CN)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.45
SHMT2 P34897 1/20 0.45
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACE P12821 2/20 0.37
EPHX2 P34913 2/20 0.37
RAB9A P51151 4/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 1/20 0.35
ECE1 P42892 1/20 0.35
MME P08473 2/20 0.35
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9548280 0.81 NOTUM (0.40) LMNAALDH1A1PTGS2EPHX2RAB9A
Hydrochloric Acid SCHEMBL9548294 0.77 EPHX2 (0.36) LMNAALDH1A1EPHX2RAB9AHPGD
SCHEMBL442507 0.70 NOTUM (0.43) LMNAALDH1A1EPHX2RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL19555684 0.69 NOTUM (0.42) LMNAALDH1A1EPHX2RAB9ASMN1; SMN2
SCHEMBL9548321 0.69 PPARA (0.42) SHMT1SHMT2ALDH1A1RAB9AHPGD
SCHEMBL6408017 0.66 SMN1; SMN2 (0.53) LMNAEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL4009260 0.65 RAB9A (0.44) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL5520474 0.65 LMNA (0.47) LMNAALDH1A1MAPTEPHX2RAB9A
(Isobutyrylamino)Acetic Acid SCHEMBL622544 0.64 ALDH1A1 (0.67) LMNAALDH1A1MAPTPTGS2TDP1
Muscimol SCHEMBL770913 0.64 NOTUM (0.41) LMNAALDH1A1RAB9AHPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US claimed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP claimed
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP disclosed